sodium 2-oxidanyl-3-[[2,3,4-tris(chloranyl)phenyl]methyl]benzenesulfonate

Systemtic Name: sodium 2-oxidanyl-3-[[2,3,4-tris(chloranyl)phenyl]methyl]benzenesulfonate Openeye Name: sodium 2-hydroxy-3-[(2,3,4-trichlorophenyl)methyl]benzenesulfonate CAS Name: sodium 2-hydroxy-3-[(2,3,4-trichlorophenyl)methyl]benzenesulfonate IUPAC Name: sodium 2-hydroxy-3-[(2,3,4-trichlorophenyl)methyl]benzenesulfonate Traditional Name: sodium 2-hydroxy-3-(2,3,4-trichlorobenzyl)besylate Formula: C13H8Cl3NaO4S MolecularWeight: 389.61399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)[O-])O)CC2=C(C(=C(C=C2)Cl)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)[O-])O)CC2=C(C(=C(C=C2)Cl)Cl)Cl.[Na+]

InChI

InChI=1S/C13H9Cl3O4S.Na/c14-9-5-4-7(11(15)12(9)16)6-8-2-1-3-10(13(8)17)21(18,19)20;/h1-5,17H,6H2,(H,18,19,20);/q;+1/p-1